354050 <common-name>2-[[4-[4-[(e)-2-[4-[[4-(2,5-disulfoanilino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-6-(ethylamino)-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid</common-name> <description>2-[[4-[4-[(e)-2-[4-[[4-(2,5-disulfoanilino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-6-(ethylamino)-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid has the chemical formula C36H36N12O18S6. With an average molecular weight of 1,117 g/mol, 2-[[4-[4-[(e)-2-[4-[[4-(2,5-disulfoanilino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-6-(ethylamino)-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>5872867</pubchem-id> <chemical-formula>C36H36N12O18S6</chemical-formula> <weight>1117.1</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-31T21:20:26Z</created-at> <updated-at type="dateTime">2026-08-31T21:20:26Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCNC1=NC(=NC(=N1)NC2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NCC)NC6=C(C=CC(=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O</moldb-smiles> <moldb-formula>C36H36N12O18S6</moldb-formula> <moldb-inchi>InChI=1S/C36H36N12O18S6/c1-3-37-31-43-33(47-35(45-31)41-25-17-23(67(49,50)51)11-13-27(25)69(55,56)57)39-21-9-7-19(29(15-21)71(61,62)63)5-6-20-8-10-22(16-30(20)72(64,65)66)40-34-44-32(38-4-2)46-36(48-34)42-26-18-24(68(52,53)54)12-14-28(26)70(58,59)60/h5-18H,3-4H2,1-2H3,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48)/b6-5+</moldb-inchi> <moldb-inchikey>FBSPEVLDJSEJLR-AATRIKPKSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">1116.059479</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM349943</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>2-[[4-[4-[(e)-2-[4-[[4-(2,5-disulfoanilino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-6-(ethylamino)-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Phenylpropanoids and polyketides</superklass> <klass>Stilbenes</klass> <subklass>Sulfonated stilbenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0304332</sync-id> <structure-inchikey>FBSPEVLDJSEJLR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000100000000000000000000000002000001004000020000002000800000000000000000000000100000000800000010000000008000000020008020000000000200001000000000000000000000010000001810000000100000000000000000000040000000000000000000000040000000004100000000000880000000800000000080000000000800000000000000000000020000080000000080000000000000088000000000008000000000000224000000000000000004000000000000000200000200000000000000000000000001000040000000020000000000004000000000020200000000</structure-fingerprint> 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